4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide

C9H8ClF3N2O — CID 63093707

IUPAC4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C9H8ClF3N2O/c10-5-1-2-6(8(14)15)7(3-5)16-4-9(11,12)13/h1-3H,4H2,(H3,14,15)
InChIKeyQGVBOKGUHDTTJE-UHFFFAOYSA-N
MW252.62 g/mol
LogP2.57
Rot. Bonds3

About 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide

4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide (PubChem CID 63093707) has the molecular formula C9H8ClF3N2O and a molecular weight of 252.62 g/mol. Its IUPAC name is 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
PubChem CID63093707
Molecular FormulaC9H8ClF3N2O
Molecular Weight252.62 g/mol
Exact Mass252.03
IUPAC Name4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C9H8ClF3N2O/c10-5-1-2-6(8(14)15)7(3-5)16-4-9(11,12)13/h1-3H,4H2,(H3,14,15)
InChIKeyQGVBOKGUHDTTJE-UHFFFAOYSA-N
XLogP2.57
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.62
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326458
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 63094186
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
4-chloro-2-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 55179651
4-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 63093018
4-chloro-2-(3-chloro-4-fluorophenoxy)benzenecarboximidamide
CID 55257647
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 113277412
2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide
CID 63523810

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide (CID 63093707) is 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OCC(F)(F)F.
What is the InChIKey of 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
The InChIKey is QGVBOKGUHDTTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2O/c10-5-1-2-6(8(14)15)7(3-5)16-4-9(11,12)13/h1-3H,4H2,(H3,14,15).
What are the key properties of 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide?
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide has a molecular weight of 252.62 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide is sourced from PubChem (CID 63093707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).